2-[(4-fluorophenyl)methylcarbamoylamino]-N-[(2-methylpyrazol-3-yl)methyl]acetamide

C15H18FN5O2 — CID 86979097

IUPAC2-[(4-fluorophenyl)methylcarbamoylamino]-N-[(2-methylpyrazol-3-yl)methyl]acetamide
SMILESCn1nccc1CNC(=O)CNC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C15H18FN5O2/c1-21-13(6-7-20-21)9-17-14(22)10-19-15(23)18-8-11-2-4-12(16)5-3-11/h2-7H,8-10H2,1H3,(H,17,22)(H2,18,19,23)
InChIKeyRIBXMVALWSZLJI-UHFFFAOYSA-N
MW319.34 g/mol
LogP0.67
Rot. Bonds6

About 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[(2-methylpyrazol-3-yl)methyl]acetamide

2-[(4-fluorophenyl)methylcarbamoylamino]-N-[(2-methylpyrazol-3-yl)methyl]acetamide (PubChem CID 86979097) has the molecular formula C15H18FN5O2 and a molecular weight of 319.34 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[(2-methylpyrazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylcarbamoylamino]-N-[(2-methylpyrazol-3-yl)methyl]acetamide
PubChem CID86979097
Molecular FormulaC15H18FN5O2
Molecular Weight319.34 g/mol
Exact Mass319.14
IUPAC Name2-[(4-fluorophenyl)methylcarbamoylamino]-N-[(2-methylpyrazol-3-yl)methyl]acetamide
SMILESCn1nccc1CNC(=O)CNC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C15H18FN5O2/c1-21-13(6-7-20-21)9-17-14(22)10-19-15(23)18-8-11-2-4-12(16)5-3-11/h2-7H,8-10H2,1H3,(H,17,22)(H2,18,19,23)
InChIKeyRIBXMVALWSZLJI-UHFFFAOYSA-N
XLogP0.67
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethylpyrazol-3-yl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 60573872
N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 19292671
2-amino-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 63302579
2-(4-aminophenyl)-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 63304660
N-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)methylamino]acetamide
CID 108997698
1-methoxy-3-[(2-methylpyrazol-3-yl)methyl]urea
CID 131154196
3-[(2-methylpyrazol-3-yl)methylcarbamoylamino]propanoic acid
CID 63303802
N-[[4-(aminomethyl)phenyl]methyl]-3-(2-methylpyrazol-3-yl)propanamide
CID 74247536
N-[2-(4-fluorophenyl)ethyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide
CID 24606211
2-[(4-fluorophenyl)methylcarbamoylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 18159108
methyl N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]carbamate
CID 47300199
N-(3,5-dimethylphenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 24605652

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[(2-methylpyrazol-3-yl)methyl]acetamide?
The IUPAC name of 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[(2-methylpyrazol-3-yl)methyl]acetamide (CID 86979097) is 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[(2-methylpyrazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[(2-methylpyrazol-3-yl)methyl]acetamide?
The canonical SMILES for 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[(2-methylpyrazol-3-yl)methyl]acetamide is Cn1nccc1CNC(=O)CNC(=O)NCc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[(2-methylpyrazol-3-yl)methyl]acetamide?
The InChIKey is RIBXMVALWSZLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN5O2/c1-21-13(6-7-20-21)9-17-14(22)10-19-15(23)18-8-11-2-4-12(16)5-3-11/h2-7H,8-10H2,1H3,(H,17,22)(H2,18,19,23).
What are the key properties of 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[(2-methylpyrazol-3-yl)methyl]acetamide?
2-[(4-fluorophenyl)methylcarbamoylamino]-N-[(2-methylpyrazol-3-yl)methyl]acetamide has a molecular weight of 319.34 g/mol, XLogP of 0.67, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[(2-methylpyrazol-3-yl)methyl]acetamide is sourced from PubChem (CID 86979097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).